3-[[[5,6-bis(oxidanylidene)-12H-benzo[a]phenothiazin-9-yl]-ethyl-amino]methyl]benzenesulfonate

Systemtic Name: 3-[[[5,6-bis(oxidanylidene)-12H-benzo[a]phenothiazin-9-yl]-ethyl-amino]methyl]benzenesulfonate Openeye Name: 3-[[(5,6-dioxo-12H-benzo[a]phenothiazin-9-yl)-ethyl-amino]methyl]benzenesulfonate CAS Name: 3-[[(5,6-dioxo-12H-benzo[a]phenothiazin-9-yl)-ethylamino]methyl]benzenesulfonate IUPAC Name: 3-[[(5,6-dioxo-12H-benzo[a]phenothiazin-9-yl)-ethylamino]methyl]benzenesulfonate Traditional Name: 3-[[(5,6-diketo-12H-benzo[a]phenothiazin-9-yl)-ethyl-amino]methyl]besylate Formula: C25H19N2O5S2- MolecularWeight: 491.55876

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC3=C(C=C2)NC4=C(S3)C(=O)C(=O)C5=CC=CC=C54

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC3=C(C=C2)NC4=C(S3)C(=O)C(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H20N2O5S2/c1-2-27(14-15-6-5-7-17(12-15)34(30,31)32)16-10-11-20-21(13-16)33-25-22(26-20)18-8-3-4-9-19(18)23(28)24(25)29/h3-13,26H,2,14H2,1H3,(H,30,31,32)/p-1